Compound Detail
CHEMBL3674585
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CCCCCCCC(=O)O[C@H]1/C(=C/C(=O)OC)C[C@H]2C[C@H](CO)OC(=O)C[C@H](O)CCO[C@H](c3ccc(-c4ccccc4)cc3)C[C@@H]3CCO[C@H](/C=C/C(C)(C)[C@]1(O)O2)O3
Basic Information
| ChEMBL ID | CHEMBL3674585 |
| Phase | Preclinical |
| Structure Type | MOL |
| InChI Key | NQVLLWTYAVEQMO-VGSYVYNBSA-N |
1
Targets
1
Activities
1
Assay Types
0
PK Parameters
0
Publications
0
Known Names
Molecular Properties
837.0
MW (Da)
6.81
ALogP
13
HBA
3
HBD
176.5
PSA (Ų)
0.07
QED
3
Ro5 Violations
11
Rot. Bonds
Drug Information
| Molecule Type | Small molecule |
| Availability | Unknown |
| Chirality | Unknown |
Activity Summary
IC50 1 meas. best 8.51
Target Activity Profile
| Target | Type | Best pChEMBL | Mean pChEMBL | Best (nM) | # Data |
|---|---|---|---|---|---|
| Protein kinase C alpha type CHEMBL2855 | IC50 | 8.51 | 8.51 | 3.1 | 1 |
Activity Data Samples
Top measurements by pChEMBL value
| Target | Type | Rel. | Value | Units | pChEMBL | Assay | PubMed |
|---|---|---|---|---|---|---|---|
| Protein kinase C alpha type | IC50 | = | 3.1 | nM | 8.51 | Binding Assay: Binding affinity of protein kinase C (PKC). | - |
Data from ChEMBL 36 via Core Engine